COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL249497
Chemical Name: 2-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Smiles: O=C(N1CCC2(C(C1)CCCC2)O)Cn1nc2CCCCCc2cc1=O

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Molecular Weight: 359.47
Empirical Formula: C20H29N3O3

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 1.252
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 73
Number of rings: 4

     

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